N-(4-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide

Systemtic Name: N-(4-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Openeye Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide CAS Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide IUPAC Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide Traditional Name: N-(4-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC#C

InChI

InChI=1S/C20H17ClN2O4S/c1-5-9-23-17-13(21)7-6-8-16(17)28-20(23)22-19(24)12-10-14(25-2)18(27-4)15(11-12)26-3/h1,6-8,10-11H,9H2,2-4H3